| SpectraBase Compound ID | 8MlWvTl2hxb |
|---|---|
| InChI | InChI=1S/C8H14O4/c1-8(2,4-6(9)10)5-7(11)12-3/h4-5H2,1-3H3,(H,9,10) |
| InChIKey | NXCIJRYHLFBLML-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C8H14O4 |
| Exact Mass | 174.089209 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 97el02CTTfL |
|---|---|
| Name | PENTANEDIOIC ACID, 3,3-DIMETHYL-, MONOMETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H14O4 |
| InChI | InChI=1S/C8H14O4/c1-8(2,4-6(9)10)5-7(11)12-3/h4-5H2,1-3H3,(H,9,10) |
| InChIKey | NXCIJRYHLFBLML-UHFFFAOYSA-N |
| Molecular Weight | 174.0888 |
| SMILES | OC(CC(CC(OC)=O)(C)C)=O |
| SPLASH | splash10-05fu-9300000000-ce24b75e6d771152c4f0 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |